Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption

Excited-state vibration-polariton transitions and dynamics in nitroprusside

(2021) Andrea B. Grafton et al.   Nature Communications

Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamics

(2020) Christian Schaefer et al.   ACS Photonics

On the Role of Symmetry in Vibrational Strong Coupling: The Case of Charge‐Transfer Complexation

(2020) Yantao Pang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Polaritonic normal modes in transition state theory

(2020) Jorge A. Campos-Gonzalez-Angulo et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular polaritons for controlling chemistry with quantum optics

(2020) Felipe Herrera et al.   JOURNAL OF CHEMICAL PHYSICS

Intermolecular vibrational energy transfer enabled by microcavity strong light–matter coupling

(2020) Bo Xiang et al.   SCIENCE

Vacuum field in a cavity, light-mediated vibrational coupling, and chemical reactivity

(2020) Vladimir P. Zhdanov   CHEMICAL PHYSICS

Entropy Reorders Polariton States

(2020) Gregory D. Scholes et al.   Journal of Physical Chemistry Letters

Polarized Fock States and the Dynamical Casimir Effect in Molecular Cavity Quantum Electrodynamics

(2020) Arkajit Mandal et al.   Journal of Physical Chemistry Letters

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

(2020) Tor S. Haugland et al.   Physical Review X

Tilting a ground-state reactivity landscape by vibrational strong coupling

(2019) A. Thomas et al.   SCIENCE

State-Selective Polariton to Dark State Relaxation Dynamics

(2019) Bo Xiang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity

(2019) Javier Galego et al.   Physical Review X

Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations

(2019) Gerrit Groenhof et al.   Journal of Physical Chemistry Letters

Modification of Enzyme Activity by Vibrational Strong Coupling of Water

(2019) Robrecht M. A. Vergauwe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ultrafast Transmission Modulation and Recovery via Vibrational Strong Coupling

(2018) Adam D. Dunkelberger et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theory for Nonlinear Spectroscopy of Vibrational Polaritons

(2018) Raphael F. Ribeiro et al.   Journal of Physical Chemistry Letters

Two-dimensional infrared spectroscopy of vibrational polaritons

(2018) Bo Xiang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

i-PI 2.0: A universal force engine for advanced molecular simulations

(2018) Venkat Kapil et al.   COMPUTER PHYSICS COMMUNICATIONS

Multiscale Molecular Dynamics Simulations of Polaritonic Chemistry

(2017) Hoi Ling Luk et al.   Journal of Chemical Theory and Computation

Making two-photon processes dominate one-photon processes using mid-IR phonon polaritons

(2017) Nicholas Rivera et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

(2017) Johannes Flick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ground-State Chemical Reactivity under Vibrational Coupling to the Vacuum Electromagnetic Field

(2016) Anoop Thomas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Multiple Rabi Splittings under Ultrastrong Vibrational Coupling

(2016) Jino George et al.   PHYSICAL REVIEW LETTERS

Cavity-Controlled Chemistry in Molecular Ensembles

(2016) Felipe Herrera et al.   PHYSICAL REVIEW LETTERS

Liquid-Phase Vibrational Strong Coupling

(2015) Jino George et al.   Journal of Physical Chemistry Letters

Coherent coupling of molecular resonators with a microcavity mode

(2015) A. Shalabney et al.   Nature Communications

Resonantly enhanced optical nonlinearity in hybrid semiconductor quantum dot – metal nanoparticle structures

(2012) Ming Fu et al.   APPLIED PHYSICS LETTERS

Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field

(2012) Randall T. Cygan et al.   Journal of Physical Chemistry C

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water

(2008) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

In Situ Attenuated Total Reflection Infrared Spectroscopy of Imidazolium-Based Room-Temperature Ionic Liquids under “Supercritical” CO2

(2008) Tsunetake Seki et al.   JOURNAL OF PHYSICAL CHEMISTRY B